4-[2-[3-chloranyl-5-(trifluoromethyl)pyridin-2-yl]sulfanylethylamino]-N-methyl-3-nitro-benzenesulfonamide

Systemtic Name: 4-[2-[3-chloranyl-5-(trifluoromethyl)pyridin-2-yl]sulfanylethylamino]-N-methyl-3-nitro-benzenesulfonamide Openeye Name: 4-[2-[[3-chloro-5-(trifluoromethyl)-2-pyridyl]sulfanyl]ethylamino]-N-methyl-3-nitro-benzenesulfonamide CAS Name: 4-[2-[[3-chloro-5-(trifluoromethyl)-2-pyridinyl]thio]ethylamino]-N-methyl-3-nitrobenzenesulfonamide IUPAC Name: 4-[2-[3-chloro-5-(trifluoromethyl)pyridin-2-yl]sulfanylethylamino]-N-methyl-3-nitrobenzenesulfonamide Traditional Name: 4-[2-[[3-chloro-5-(trifluoromethyl)-2-pyridyl]thio]ethylamino]-N-methyl-3-nitro-benzenesulfonamide Formula: C15H14ClF3N4O4S2 MolecularWeight: 470.87427

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Descriptors Computed from Structure

Canonical SMILES:

CNS(=O)(=O)C1=CC(=C(C=C1)NCCSC2=C(C=C(C=N2)C(F)(F)F)Cl)[N+](=O)[O-]

Isomeric SMILES

CNS(=O)(=O)C1=CC(=C(C=C1)NCCSC2=C(C=C(C=N2)C(F)(F)F)Cl)[N+](=O)[O-]

InChI

InChI=1S/C15H14ClF3N4O4S2/c1-20-29(26,27)10-2-3-12(13(7-10)23(24)25)21-4-5-28-14-11(16)6-9(8-22-14)15(17,18)19/h2-3,6-8,20-21H,4-5H2,1H3